6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C23H26N8O3 — CID 58548204

About 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 58548204) has the molecular formula C23H26N8O3 and a molecular weight of 462.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• PubChem CID: 58548204
• Molecular Formula: C23H26N8O3
• Molecular Weight: 462.51 g/mol
• Exact Mass: 462.21
• IUPAC Name: 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1
• InChI: InChI=1S/C23H26N8O3/c1-13-4-7-16(18(28-13)21(32)27-11-23(2,3)34)31-22(33)19-20(29-15-8-24-12-25-9-15)26-10-17(30-19)14-5-6-14/h4,7-10,12,14,34H,5-6,11H2,1-3H3,(H,26,29)(H,27,32)(H,31,33)
• InChIKey: HDPHUHBOZIMVIG-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 154.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.51
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 58548204) is 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c(C(=O)NCC(C)(C)O)n1.

What is the InChIKey of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The InChIKey is HDPHUHBOZIMVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O3/c1-13-4-7-16(18(28-13)21(32)27-11-23(2,3)34)31-22(33)19-20(29-15-8-24-12-25-9-15)26-10-17(30-19)14-5-6-14/h4,7-10,12,14,34H,5-6,11H2,1-3H3,(H,26,29)(H,27,32)(H,31,33).

What are the key properties of 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 462.51 g/mol, XLogP of 2.34, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[2-[(2-hydroxy-2-methylpropyl)carbamoyl]-6-methyl-3-pyridinyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 58548204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).